[2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-phenethylbenzoate

Systemtic Name: [2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-phenethylbenzoate Openeye Name: [2-(6-amino-1-isobutyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)N

InChI

InChI=1S/C26H29N3O5/c1-17(2)15-29-23(27)22(24(31)28(3)26(29)33)21(30)16-34-25(32)20-12-8-7-11-19(20)14-13-18-9-5-4-6-10-18/h4-12,17H,13-16,27H2,1-3H3